[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine

C12H19NO3 — CID 62443550

IUPAC[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
SMILESNCc1occc1COCC1CCCCO1
InChIInChI=1S/C12H19NO3/c13-7-12-10(4-6-16-12)8-14-9-11-3-1-2-5-15-11/h4,6,11H,1-3,5,7-9,13H2
InChIKeyASHVPPBTQJJAPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds5

About [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine

[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine (PubChem CID 62443550) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
PubChem CID62443550
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
SMILESNCc1occc1COCC1CCCCO1
InChIInChI=1S/C12H19NO3/c13-7-12-10(4-6-16-12)8-14-9-11-3-1-2-5-15-11/h4,6,11H,1-3,5,7-9,13H2
InChIKeyASHVPPBTQJJAPH-UHFFFAOYSA-N
XLogP1.82
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444616
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
2,3-bis(oxiran-2-ylmethoxymethyl)furan
CID 176654552
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
2-nitro-6-(oxan-2-ylmethoxymethyl)aniline
CID 107352211
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine (CID 62443550) is [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine is NCc1occc1COCC1CCCCO1.
What is the InChIKey of [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
The InChIKey is ASHVPPBTQJJAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c13-7-12-10(4-6-16-12)8-14-9-11-3-1-2-5-15-11/h4,6,11H,1-3,5,7-9,13H2.
What are the key properties of [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine?
[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62443550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).